4-methyl-2-(quinolin-2-ylmethyl)benzenesulfonate

Systemtic Name: 4-methyl-2-(quinolin-2-ylmethyl)benzenesulfonate Openeye Name: 4-methyl-2-(2-quinolylmethyl)benzenesulfonate CAS Name: 4-methyl-2-(2-quinolinylmethyl)benzenesulfonate IUPAC Name: 4-methyl-2-(quinolin-2-ylmethyl)benzenesulfonate Traditional Name: 4-methyl-2-(2-quinolylmethyl)besylate Formula: C17H14NO3S- MolecularWeight: 312.36296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C17H15NO3S/c1-12-6-9-17(22(19,20)21)14(10-12)11-15-8-7-13-4-2-3-5-16(13)18-15/h2-10H,11H2,1H3,(H,19,20,21)/p-1